N-[[3-(3-methoxypropyl)oxolan-3-yl]methyl]ethanamine

C11H23NO2 — CID 62718661

IUPACN-[[3-(3-methoxypropyl)oxolan-3-yl]methyl]ethanamine
SMILESCCNCC1(CCCOC)CCOC1
InChIInChI=1S/C11H23NO2/c1-3-12-9-11(5-4-7-13-2)6-8-14-10-11/h12H,3-10H2,1-2H3
InChIKeyKYENHRYBRMLTEP-UHFFFAOYSA-N
MW201.31 g/mol
LogP1.43
Rot. Bonds7

About N-[[3-(3-methoxypropyl)oxolan-3-yl]methyl]ethanamine

N-[[3-(3-methoxypropyl)oxolan-3-yl]methyl]ethanamine (PubChem CID 62718661) has the molecular formula C11H23NO2 and a molecular weight of 201.31 g/mol. Its IUPAC name is N-[[3-(3-methoxypropyl)oxolan-3-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[3-(3-methoxypropyl)oxolan-3-yl]methyl]ethanamine
PubChem CID62718661
Molecular FormulaC11H23NO2
Molecular Weight201.31 g/mol
Exact Mass201.17
IUPAC NameN-[[3-(3-methoxypropyl)oxolan-3-yl]methyl]ethanamine
SMILESCCNCC1(CCCOC)CCOC1
InChIInChI=1S/C11H23NO2/c1-3-12-9-11(5-4-7-13-2)6-8-14-10-11/h12H,3-10H2,1-2H3
InChIKeyKYENHRYBRMLTEP-UHFFFAOYSA-N
XLogP1.43
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.31
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-[[3-(3-methoxypropyl)oxolan-3-yl]methyl]ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[[3-(3-methoxypropyl)oxolan-3-yl]methyl]ethanamine?
The IUPAC name of N-[[3-(3-methoxypropyl)oxolan-3-yl]methyl]ethanamine (CID 62718661) is N-[[3-(3-methoxypropyl)oxolan-3-yl]methyl]ethanamine.
What is the SMILES notation for N-[[3-(3-methoxypropyl)oxolan-3-yl]methyl]ethanamine?
The canonical SMILES for N-[[3-(3-methoxypropyl)oxolan-3-yl]methyl]ethanamine is CCNCC1(CCCOC)CCOC1.
What is the InChIKey of N-[[3-(3-methoxypropyl)oxolan-3-yl]methyl]ethanamine?
The InChIKey is KYENHRYBRMLTEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO2/c1-3-12-9-11(5-4-7-13-2)6-8-14-10-11/h12H,3-10H2,1-2H3.
What are the key properties of N-[[3-(3-methoxypropyl)oxolan-3-yl]methyl]ethanamine?
N-[[3-(3-methoxypropyl)oxolan-3-yl]methyl]ethanamine has a molecular weight of 201.31 g/mol, XLogP of 1.43, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(3-methoxypropyl)oxolan-3-yl]methyl]ethanamine is sourced from PubChem (CID 62718661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).